7-(butanoylamino)-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 7-(butanoylamino)-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 7-(butanoylamino)-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 3-methylene-8-oxo-7-(1-oxobutylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 7-(butanoylamino)-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 7-butyramido-8-keto-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1C2N(C1=O)C(C(=C)CS2)C(=O)O

Isomeric SMILES

CCCC(=O)NC1C2N(C1=O)C(C(=C)CS2)C(=O)O

InChI

InChI=1S/C12H16N2O4S/c1-3-4-7(15)13-8-10(16)14-9(12(17)18)6(2)5-19-11(8)14/h8-9,11H,2-5H2,1H3,(H,13,15)(H,17,18)